SCHEMBL840951

SCHEMBL840951

CCC(CC)C(=O)N(CCNC(=O)C(CS)CC(C)C)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.40
MME P08473 12/20 0.40
AGTR2 P50052 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL839269 0.91 AGTR1 (0.40) AGTR1MME
SCHEMBL840844 0.91 AGTR1 (0.41) AGTR1MMEAGTR2
SCHEMBL839949 0.91 AGTR1 (0.41) AGTR1MME
SCHEMBL859394 0.91 AGTR1 (0.41) AGTR1MME
SCHEMBL839252 0.91 AGTR1 (0.41) AGTR1MME
SCHEMBL840242 0.90 AGTR1 (0.38) AGTR1MMEAGTR2
SCHEMBL840456 0.90 AGTR1 (0.41) AGTR1MME
SCHEMBL839870 0.90 AGTR1 (0.40) AGTR1MMEAGTR2
SCHEMBL840125 0.89 AGTR1 (0.45) AGTR1MME
SCHEMBL841346 0.89 AGTR1 (0.45) AGTR1MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed